2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

C16H23N3O — CID 95475709

IUPAC2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1ccc(Cn2nc(C)c(CCN)c2C)cc1C
InChIInChI=1S/C16H23N3O/c1-11-9-14(5-6-16(11)20-4)10-19-13(3)15(7-8-17)12(2)18-19/h5-6,9H,7-8,10,17H2,1-4H3
InChIKeyXQKFJJBLFWZSEH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds5

About 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 95475709) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID95475709
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1ccc(Cn2nc(C)c(CCN)c2C)cc1C
InChIInChI=1S/C16H23N3O/c1-11-9-14(5-6-16(11)20-4)10-19-13(3)15(7-8-17)12(2)18-19/h5-6,9H,7-8,10,17H2,1-4H3
InChIKeyXQKFJJBLFWZSEH-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-methoxybenzonitrile
CID 65344339
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785930
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63984161
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
1-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-3-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 112529891
3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79225299
4-(chloromethyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-3,5-dimethylpyrazole
CID 43648184
4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
CID 138379101
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (CID 95475709) is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is COc1ccc(Cn2nc(C)c(CCN)c2C)cc1C.
What is the InChIKey of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is XQKFJJBLFWZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-9-14(5-6-16(11)20-4)10-19-13(3)15(7-8-17)12(2)18-19/h5-6,9H,7-8,10,17H2,1-4H3.
What are the key properties of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 95475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).